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BDBM48877 3-[({[2-(4-fluorophenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]thio}acetyl)amino]benzoic acid::3-[2-[[2-(4-fluorophenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]ethanoylamino]benzoic acid::3-[[2-[[2-(4-fluorophenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]thio]-1-oxoethyl]amino]benzoic acid::3-[[2-[[2-(4-fluorophenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]acetyl]amino]benzoic acid::3-[[2-[[2-(4-fluorophenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]thio]acetyl]amino]benzoic acid::MLS000673046::SMR000314287::cid_2137364

SMILES: OC(=O)c1cccc(NC(=O)CSc2nc(nc3Oc4ccccc4Cc23)-c2ccc(F)cc2)c1

InChI Key: InChIKey=KGOAMMKJVQZGLF-UHFFFAOYSA-N

Data: 7 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 48877   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
eukaryotic translation initiation factor 4 gamma, 1 isoform 4


(Homo sapiens (Human))
BDBM48877
PNG
(3-[({[2-(4-fluorophenyl)-5H-chromeno[2,3-d]pyrimid...)
Show SMILES OC(=O)c1cccc(NC(=O)CSc2nc(nc3Oc4ccccc4Cc23)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H18FN3O4S/c27-18-10-8-15(9-11-18)23-29-24-20(13-16-4-1-2-7-21(16)34-24)25(30-23)35-14-22(31)28-19-6-3-5-17(12-19)26(32)33/h1-12H,13-14H2,(H,28,31)(H,32,33)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSC...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2RN3686
More data for this
Ligand-Target Pair
BZLF2


(Human herpesvirus 4 type 2)
BDBM48877
PNG
(3-[({[2-(4-fluorophenyl)-5H-chromeno[2,3-d]pyrimid...)
Show SMILES OC(=O)c1cccc(NC(=O)CSc2nc(nc3Oc4ccccc4Cc23)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H18FN3O4S/c27-18-10-8-15(9-11-18)23-29-24-20(13-16-4-1-2-7-21(16)34-24)25(30-23)35-14-22(31)28-19-6-3-5-17(12-19)26(32)33/h1-12H,13-14H2,(H,28,31)(H,32,33)
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n/an/a 1.53E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM48877
PNG
(3-[({[2-(4-fluorophenyl)-5H-chromeno[2,3-d]pyrimid...)
Show SMILES OC(=O)c1cccc(NC(=O)CSc2nc(nc3Oc4ccccc4Cc23)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H18FN3O4S/c27-18-10-8-15(9-11-18)23-29-24-20(13-16-4-1-2-7-21(16)34-24)25(30-23)35-14-22(31)28-19-6-3-5-17(12-19)26(32)33/h1-12H,13-14H2,(H,28,31)(H,32,33)
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n/an/a 2.26E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HGT
More data for this
Ligand-Target Pair
Uridine-cytidine kinase 2


(Homo sapiens)
BDBM48877
PNG
(3-[({[2-(4-fluorophenyl)-5H-chromeno[2,3-d]pyrimid...)
Show SMILES OC(=O)c1cccc(NC(=O)CSc2nc(nc3Oc4ccccc4Cc23)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H18FN3O4S/c27-18-10-8-15(9-11-18)23-29-24-20(13-16-4-1-2-7-21(16)34-24)25(30-23)35-14-22(31)28-19-6-3-5-17(12-19)26(32)33/h1-12H,13-14H2,(H,28,31)(H,32,33)
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Article
PubMed
n/an/a 1.66E+5n/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged human UCK2 expressed in Escherichia coli BL21(DE3) cells incubated for 15 mins before ATP addition and measure...


Bioorg Med Chem Lett 29: 2559-2564 (2019)


Article DOI: 10.1016/j.bmcl.2019.08.010
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM48877
PNG
(3-[({[2-(4-fluorophenyl)-5H-chromeno[2,3-d]pyrimid...)
Show SMILES OC(=O)c1cccc(NC(=O)CSc2nc(nc3Oc4ccccc4Cc23)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H18FN3O4S/c27-18-10-8-15(9-11-18)23-29-24-20(13-16-4-1-2-7-21(16)34-24)25(30-23)35-14-22(31)28-19-6-3-5-17(12-19)26(32)33/h1-12H,13-14H2,(H,28,31)(H,32,33)
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n/an/a 443n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2T43RPN
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM48877
PNG
(3-[({[2-(4-fluorophenyl)-5H-chromeno[2,3-d]pyrimid...)
Show SMILES OC(=O)c1cccc(NC(=O)CSc2nc(nc3Oc4ccccc4Cc23)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H18FN3O4S/c27-18-10-8-15(9-11-18)23-29-24-20(13-16-4-1-2-7-21(16)34-24)25(30-23)35-14-22(31)28-19-6-3-5-17(12-19)26(32)33/h1-12H,13-14H2,(H,28,31)(H,32,33)
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n/an/a 1.55E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2KH0KWR
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM48877
PNG
(3-[({[2-(4-fluorophenyl)-5H-chromeno[2,3-d]pyrimid...)
Show SMILES OC(=O)c1cccc(NC(=O)CSc2nc(nc3Oc4ccccc4Cc23)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H18FN3O4S/c27-18-10-8-15(9-11-18)23-29-24-20(13-16-4-1-2-7-21(16)34-24)25(30-23)35-14-22(31)28-19-6-3-5-17(12-19)26(32)33/h1-12H,13-14H2,(H,28,31)(H,32,33)
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n/an/a 353n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2959G44
More data for this
Ligand-Target Pair